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Dalgicdir, Cahit ; Rodríguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Computational Calorimetry of PNIPAM Cononsolvency in Water/Methanol Mixtures.
[Online-Edition: https://doi.org/10.1021/acs.jpcb.7b05960]
In: The Journal of Physical Chemistry B, 121 (32) pp. 7741-7748. ISSN 1520-6106
[Artikel], (2017)

Dallavalle, Marco ; van der Vegt, Nico F. A. :
Evaluation of mapping schemes for systematic coarse graining of higher alkanes.
[Online-Edition: https://doi.org/10.1039/c7cp03926c]
In: Phys. Chem. Chem. Phys., 19 (34) pp. 23034-23042. ISSN 1463-9076
[Artikel], (2017)

Nayar, Divya ; Folberth, Angelina ; van der Vegt, Nico F. A. :
Molecular origin of urea driven hydrophobic polymer collapse and unfolding depending on side chain chemistry.
[Online-Edition: https://doi.org/10.1039/c7cp01743j]
In: Phys. Chem. Chem. Phys., 19 (28) pp. 18156-18161. ISSN 1463-9076
[Artikel], (2017)

Rodriguez-Ropero, Francisco ; Rotzscher, Philipp ; van der Vegt, Nico F. A. :
Comparison of Different TMAO Force Fields and Their Impact on the Folding Equilibrium of a Hydrophobic Polymer.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.6b04100]
In: The journal of physical chemistry. B, 120 (34) pp. 8757-67.
[Artikel], (2016)

Rodriguez-Ropero, Francisco ; Roetzscher, Philipp ; van der Vegt, Nico F. A. :
Comparison of Different TMAO Force Fields and Their Impact on the Folding Equilibrium of a Hydrophobic Polymer.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.6b04100]
In: Journal of Physical Chemistry B, 120 (34) pp. 8757-8767. ISSN 1520-6106
[Artikel], (2016)

Rosenberger, David ; Hanke, Martin ; van der Vegt, Nico F. A. :
Comparison of iterative inverse coarse-graining methods.
[Online-Edition: http://dx.doi.org/10.1140/epjst/e2016-60120-1]
In: European Physical Journal-Special Topics, 225 (8-9) pp. 1323-1345. ISSN 1951-6355
[Artikel], (2016)

Ganguly, Pritam ; van der Vegt, Nico F. A. ; Shea, Joan-Emma :
Hydrophobic Association in Mixed Urea-TMAO Solutions.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpclett.6b01344]
In: Journal of Physical Chemistry Letters, 7 (15) pp. 3052-3059. ISSN 1948-7185
[Artikel], (2016)

Taherian, Fereshte ; Leroy, Frederic ; Heim, Lars-Oliver ; Bonaccurso, Elmar ; van der Vegt, Nico F. A. :
Mechanism for Asymmetric Nanoscale Electrowetting of an Ionic Liquid on Graphene.
[Online-Edition: http://dx.doi.org/10.1021/acs.langmuir.5b04161]
In: Langmuir : the ACS journal of surfaces and colloids, 32 (1) pp. 140-50.
[Artikel], (2016)

Taherian, Fereshte ; Leroy, Frederic ; Heim, Lars-Oliver ; Bonaccurso, Elmar ; van der Vegt, Nico F. A. :
Mechanism for Asymmetric Nanoscale Electrowetting of an Ionic Liquid on Graphene.
[Online-Edition: http://dx.doi.org/10.1021/acs.langmuir.5b04161]
In: Langmuir, 32 (1) pp. 140-150. ISSN 0743-7463
[Artikel], (2016)

Zhang, Ran ; van der Vegt, Nico F. A. :
Study of Hydrophobic Clustering in Partially Sulfonated Polystyrene Solutions with a Systematic Coarse-Grained Model.
[Online-Edition: http://dx.doi.org/10.1021/acs.macromol.6b01132]
In: Macromolecules, 49 (19) pp. 7571-7580. ISSN 0024-9297
[Artikel], (2016)

Rane, Kaustubh ; van der Vegt, Nico F. A. :
Understanding the influence of capillary waves on solvation at the liquid-vapor interface.
[Online-Edition: http://dx.doi.org/10.1063/1.4943781]
In: Journal of Chemical Physics, 144 (11) ISSN 0021-9606
[Artikel], (2016)

Rane, Kaustubh ; van der Vegt, Nico F. A. :
Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.6b05237]
In: The journal of physical chemistry. B, 120 (36) pp. 9697-707.
[Artikel], (2016)

Rane, Kaustubh ; van der Vegt, Nico F. A. :
Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.6b05237]
In: Journal of Physical Chemistry B, 120 (36) pp. 9697-9707. ISSN 1520-6106
[Artikel], (2016)

Taherian, Fereshte ; Marcon, Valentina ; Bonaccurso, Elmar ; van der Vegt, Nico F. A. :
Vortex formation in coalescence of droplets with a reservoir using molecular dynamics simulations.
[Online-Edition: http://dx.doi.org/10.1016/j.jcis.2016.06.059]
In: Journal of colloid and interface science, 479 pp. 189-98.
[Artikel], (2016)

van der Vegt, Nico F. A. ; Haldrup, Kristoffer ; Roke, Sylvie ; Zheng, Junrong ; Lund, Mikael ; Bakker, Huib J. :
Water-Mediated Ion Pairing: Occurrence and Relevance.
[Online-Edition: http://dx.doi.org/10.1021/acs.chemrev.5b00742]
In: Chemical Reviews, 116 (13) pp. 7626-7641. ISSN 0009-2665
[Artikel], (2016)

van der Vegt, Nico F. A. ; Haldrup, Kristoffer ; Roke, Sylvie ; Zheng, Junrong ; Lund, Mikael ; Bakker, Huib J. :
Water-Mediated Ion Pairing: Occurrence and Relevance.
[Online-Edition: http://dx.doi.org/10.1021/acs.chemrev.5b00742]
In: Chemical reviews, 116 (13) pp. 7626-41.
[Artikel], (2016)

Taherian, Fereshte ; Leroy, Frederic ; van der Vegt, Nico F. A. :
Interfacial Tension Does Not Drive Asymmetric Nanoscale Electrowetting on Graphene.
[Online-Edition: http://dx.doi.org/10.1021/acs.langmuir.5b00625]
In: Langmuir, 31 (16) pp. 4686-4695. ISSN 0743-7463
[Artikel], (2015)

Taherian, Fereshte ; Leroy, Frederic ; van der Vegt, Nico F. A. :
Interfacial tension does not drive asymmetric nanoscale electrowetting on graphene.
In: Langmuir : the ACS journal of surfaces and colloids, 31 (16) pp. 4686-95.
[Artikel], (2015)

Rodriguez-Ropero, Francisco ; Hajari, Timir ; van der Vegt, Nico F. A. :
Mechanism of Polymer Collapse in Miscible Good Solvents.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.5b10684]
In: The journal of physical chemistry. B, 119 (51) pp. 15780-8.
[Artikel], (2015)

Rodriguez-Ropero, Francisco ; Hajari, Timir ; van der Vegt, Nico F. A. :
Mechanism of Polymer Collapse in Miscible Good Solvents.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcb.5b10684]
In: Journal of Physical Chemistry B, 119 (51) pp. 15780-15788. ISSN 1520-6106
[Artikel], (2015)

Ganguly, Pritam ; Hajari, Timir ; Shea, Joan-Emma ; van der Vegt, Nico F. A. :
Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment.
In: Journal of Physical Chemistry Letters, 6 (4) pp. 581-585. ISSN 1948-7185
[Artikel], (2015)

Ganguly, Pritam ; Hajari, Timir ; Shea, Joan-Emma ; van der Vegt, Nico F. A. :
Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment (vol 6, pg 581, 2015).
[Online-Edition: http://dx.doi.org/10.1021/acs.jpclett.5b02536]
In: Journal of Physical Chemistry Letters, 6 (23) pp. 4728-4729. ISSN 1948-7185
[Artikel], (2015)

Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
On the urea induced hydrophobic collapse of a water soluble polymer.
In: Physical Chemistry Chemical Physics, 17 (13) pp. 8491-8498. ISSN 1463-9076
[Artikel], (2015)

Hajari, Timir ; van der Vegt, Nico F. A. :
Publisher's Note: "Solvation thermodynamics of amino acid side chains on a short peptide backbone" J. Chem. Phys. 142, 144502 (2015).
In: The Journal of chemical physics, 142 (16) p. 169901.
[Artikel], (2015)

Ardham, Vikram Reddy ; Deichmann, Gregor ; van der Vegt, Nico F. A. ; Leroy, Frederic :
Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method.
[Online-Edition: http://dx.doi.org/10.1063/1.4936253]
In: The Journal of chemical physics, 143 (24) p. 243135.
[Artikel], (2015)

Ardham, Vikram Reddy ; Deichmann, Gregor ; van der Vegt, Nico F. A. ; Leroy, Frederic :
Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method.
[Online-Edition: http://dx.doi.org/10.1063/1.4936253]
In: Journal of Chemical Physics, 143 (24) ISSN 0021-9606
[Artikel], (2015)

Hajari, Timir ; van der Vegt, Nico F. A. :
Solvation thermodynamics of amino acid side chains on a short peptide backbone.
In: Journal of Chemical Physics, 142 (14) ISSN 0021-9606
[Artikel], (2015)

Hajari, Timir ; van der Vegt, Nico F. A. :
Peptide backbone effect on hydration free energies of amino Acid side chains.
In: The journal of physical chemistry. B, 118 pp. 13162-8.
[Artikel], (2014)

Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Direct Osmolyte-Macromolecule Interactions Confer Entropic Stability to Folded States.
In: Journal of Physical Chemistry B, 118 pp. 7327-7334.
[Artikel], (2014)

Ganguly, Pritam ; Hajari, Timir ; van der Vegt, Nico F. A. :
Molecular Simulation Study on Hofmeister Cations and the Aqueous Solubility of Benzene.
In: Journal of Physical Chemistry B, 118 pp. 5331-5339.
[Artikel], (2014)

Deichmann, Gregor ; Marcon, Valentina ; van der Vegt, Nico F. A. :
Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method.
In: Journal of Chemical Physics, 141 (22) ISSN 0021-9606
[Artikel], (2014)

Deichmann, Gregor ; Marcon, Valentina ; van der Vegt, Nico F. A. :
Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method.
[Online-Edition: http://dx.doi.org/10.1063/1.4903454]
In: Journal of Chemical Physics, 141 (22) ISSN 0021-9606
[Artikel], (2014)

Marcon, Valentina ; van der Vegt, Nico F. A. :
How does low-molecular-weight polystyrene dissolve: osmotic swelling vs. surface dissolution.
In: Soft Matter, 10 pp. 9059-9064.
[Artikel], (2014)

Marcon, Valentina ; van der Vegt, Nico F. A. :
How does low-molecular-weight polystyrene dissolve: osmotic swelling vs. surface dissolution.
[Online-Edition: http://dx.doi.org/10.1039/c4sm01636j]
In: Soft Matter, 10 (45) pp. 9059-9064. ISSN 1744-683X
[Artikel], (2014)

Hajari, Timir ; van der Vegt, Nico F. A. :
Peptide Backbone Effect on Hydration Free Energies of Amino Acid Side Chains.
In: Journal of Physical Chemistry B, 118 (46) pp. 13162-13168. ISSN 1520-6106
[Artikel], (2014)

Ganguly, Pritam ; van der Vegt, Nico F. A. :
Representability and Transferability of Kirkwood-Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems.
In: Journal of Chemical Theory and Computation, 9 pp. 5247-5256.
[Artikel], (2013)

Taherian, Fereshte ; Leroy, Frederic ; van der Vegt, Nico F. A. :
Interfacial Entropy of Water on Rigid Hydrophobic Surfaces.
In: Langmuir, 29 pp. 9807-9813.
[Artikel], (2013)

Taherian, Fereshte ; Marcon, Valentina ; van der Vegt, Nico F. A. ; Leroy, Frederic :
What Is the Contact Angle of Water on Graphene?
In: Langmuir, 29 pp. 1457-1465.
[Artikel], (2013)

Ganguly, Pritam ; van der Vegt, Nico F. A. :
Convergence of Sampling Kirkwood–Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations.
[Online-Edition: http://dx.doi.org/10.1021/ct301017q]
In: Journal of Chemical Theory and Computation, 9 (3) pp. 1347-1355. ISSN 1549-9618
[Artikel], (2013)

Herbers, Claudia R. ; Li, Chunli ; van der Vegt, Nico F. A. :
Grand challenges in quantum-classical modeling of molecule-surface interactions.
[Online-Edition: http://dx.doi.org/10.1002/jcc.23247]
In: Journal of Computational Chemistry, 34 (14) pp. 1177-1188. ISSN 01928651
[Artikel], (2013)

Chen, Longquan ; Li, Chunli ; van der Vegt, Nico F. A. ; Auernhammer, Günter K. ; Bonaccurso, Elmar :
Initial Electrospreading of Aqueous Electrolyte Drops.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.110.026103]
In: Physical Review Letters, 110 (2) ISSN 0031-9007
[Artikel], (2013)

Chen, Longquan ; Li, Chunli ; van der Vegt, Nico F. A. ; Auernhammer, Guenter K. ; Bonaccurso, Elmar :
Initial Electrospreading of Aqueous Electrolyte Drops.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.110.026103]
In: Physical Review Letters, 110 (2) ISSN 0031-9007
[Artikel], (2013)

Chen, Longquan ; Li, Chunli ; van der Vegt, Nico F. A. ; Auernhammer, Guenter K. ; Bonaccurso, Elmar :
Initial Electrospreading of Aqueous Electrolyte Drops.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.110.026103]
In: Physical Review Letters, 110 (2) ISSN 0031-9007
[Artikel], (2013)

Chen, Longquan ; Li, Chunli ; van der Vegt, Nico F. A. ; Auernhammer, Guenter K. ; Bonaccurso, Elmar :
Initial Electrospreading of Aqueous Electrolyte Drops.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.110.026103]
In: Physical Review Letters, 110 (2) ISSN 0031-9007
[Artikel], (2013)

Taherian, Fereshte ; Leroy, Frederic ; van der Vegt, Nico F. A. :
Interfacial Entropy of Water on Rigid Hydrophobic Surfaces.
[Online-Edition: http://dx.doi.org/10.1021/la401995v]
In: Langmuir, 29 (31) pp. 9807-9813. ISSN 0743-7463
[Artikel], (2013)

Rodríguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush.
[Online-Edition: http://dx.doi.org/10.1039/C2FD20072D]
In: Faraday Discussions , 160
[Konferenz- oder Workshop-Beitrag], (2013)

Rodríguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush.
[Online-Edition: http://dx.doi.org/10.1039/C2FD20072D]
In: Faraday Discussions , 160
[Konferenz- oder Workshop-Beitrag], (2013)

Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush.
In: Faraday Discussions, 160 pp. 297-309.
[Artikel], (2013)

Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush.
[Online-Edition: http://dx.doi.org/10.1039/c2fd20072d]
In: Faraday Discussions, 160 pp. 297-309. ISSN 1359-6640
[Artikel], (2013)

Brini, Emiliano ; Algaer, Elena A. ; Ganguly, Pritam ; Li, Chunli ; Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Systematic coarse-graining methods for soft matter simulations - a review.
In: Soft Matter, 9 pp. 2108-2119.
[Artikel], (2013)

Brini, Emiliano ; Algaer, Elena A. ; Ganguly, Pritam ; Li, Chunli ; Rodriguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Systematic coarse-graining methods for soft matter simulations - a review.
[Online-Edition: http://dx.doi.org/10.1039/c2sm27201f]
In: Soft Matter, 9 (7) pp. 2108-2119. ISSN 1744-683X
[Artikel], (2013)

Brini, Emiliano ; Algaer, Elena A. ; Ganguly, Pritam ; Li, Chunli ; Rodríguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Systematic coarse-graining methods for soft matter simulations – a review.
[Online-Edition: http://dx.doi.org/10.1039/C2SM27201F]
In: Soft Matter, 9 (7) p. 2108. ISSN 1744-683X
[Artikel], (2013)

Brini, Emiliano ; Algaer, Elena A. ; Ganguly, Pritam ; Li, Chunli ; Rodríguez-Ropero, Francisco ; van der Vegt, Nico F. A. :
Systematic coarse-graining methods for soft matter simulations – a review.
[Online-Edition: http://dx.doi.org/10.1039/C2SM27201F]
In: Soft Matter, 9 (7) p. 2108. ISSN 1744-683X
[Artikel], (2013)

Shen, Jia-Wei ; Li, Chunli ; van der Vegt, Nico F. A. ; Peter, Christine :
Understanding the Control of Mineralization by Polyelectrolyte Additives: Simulation of Preferential Binding to Calcite Surfaces.
[Online-Edition: http://dx.doi.org/10.1021/jp402341w]
In: The Journal of Physical Chemistry C, 117 (13) pp. 6904-6913. ISSN 1932-7447
[Artikel], (2013)

Taherian, Fereshte ; Marcon, Valentina ; van der Vegt, Nico F. A. ; Leroy, Frederic :
What Is the Contact Angle of Water on Graphene?
[Online-Edition: http://dx.doi.org/10.1021/la304645w]
In: Langmuir, 29 (5) pp. 1457-1465. ISSN 0743-7463
[Artikel], (2013)

Hajari, Timir ; Ganguly, Pritam ; van der Vegt, Nico F. A. :
Enthalpy-Entropy of Cation Association with the Acetate Anion in Water.
In: Journal of Chemical Theory and Computation, 8 pp. 3804-3809.
[Artikel], (2012)

Johnston, Karen ; Herbers, Claudia R. ; van der Vegt, Nico F. A. :
Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability.
In: Journal of Physical Chemistry C, 116 pp. 19781-19788.
[Artikel], (2012)

Shen, Jia-Wei ; Li, Chunli ; van der Vegt, Nico F. A. ; Peter, Christine :
Preferable binding of polystyrene sulfonate on calcite surfaces.
In: Abstracts of Papers of the American Chemical Society, 244
[Artikel], (2012)

Ganguly, Pritam ; Mukherji, Debashish ; Junghans, Christoph ; van der Vegt, Nico F. A. :
Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions.
In: Journal of Chemical Theory and Computation, 8 pp. 1802-1807.
[Artikel], (2012)

Li, Chunli ; Shen, Jiawei ; Peter, Christine ; van der Vegt, Nico F. A. :
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions.
[Online-Edition: http://dx.doi.org/10.1021/ma202490h]
In: Macromolecules, 45 (5) p. 2551. ISSN 0024-9297
[Artikel], (2012)

Li, Chunli ; Shen, Jiawei ; Peter, Christine ; van der Vegt, Nico F. A. :
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions.
[Online-Edition: http://dx.doi.org/10.1021/ma202490h]
In: Macromolecules, 45 (5) pp. 2551-2561. ISSN 0024-9297
[Artikel], (2012)

Johnston, Karen ; Herbers, Claudia R. ; van der Vegt, Nico F. A. :
Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability.
[Online-Edition: http://dx.doi.org/10.1021/jp3044187]
In: The Journal of Physical Chemistry C, 116 (37) p. 19781. ISSN 1932-7447
[Artikel], (2012)

Johnston, Karen ; Herbers, Claudia R. ; van der Vegt, Nico F. A. :
Development of Classical Molecule–Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability.
[Online-Edition: http://dx.doi.org/10.1021/jp3044187]
In: The Journal of Physical Chemistry C, 116 (37) pp. 19781-19788. ISSN 1932-7447
[Artikel], (2012)

Hajari, Timir ; Ganguly, Pritam ; van der Vegt, Nico F. A. :
Enthalpy–Entropy of Cation Association with the Acetate Anion in Water.
[Online-Edition: http://dx.doi.org/10.1021/ct300074d]
In: Journal of Chemical Theory and Computation, 8 (10) p. 3804. ISSN 1549-9618
[Artikel], (2012)

Hajari, Timir ; Ganguly, Pritam ; van der Vegt, Nico F. A. :
Enthalpy–Entropy of Cation Association with the Acetate Anion in Water.
[Online-Edition: http://dx.doi.org/10.1021/ct300074d]
In: Journal of Chemical Theory and Computation, 8 (10) pp. 3804-3809. ISSN 1549-9618
[Artikel], (2012)

Marcon, Valentina ; Fritz, Dominik ; van der Vegt, Nico F. A. :
Hierarchical modelling of polystyrene surfaces.
[Online-Edition: http://dx.doi.org/10.1039/C2SM25342A]
In: Soft Matter ISSN 1744-683X
[Artikel], (2012)

Marcon, Valentina ; Fritz, Dominik ; van der Vegt, Nico F. A. :
Hierarchical modelling of polystyrene surfaces.
[Online-Edition: http://dx.doi.org/10.1039/C2SM25342A]
In: Soft Matter, 8 (20) p. 5585. ISSN 1744-683X
[Artikel], (2012)

Marcon, Valentina ; Fritz, Dominik ; van der Vegt, Nico F. A. :
Hierarchical modelling of polystyrene surfaces.
[Online-Edition: http://dx.doi.org/10.1039/c2sm25342a]
In: Soft Matter, 8 (20) pp. 5585-5594. ISSN 1744-683X
[Artikel], (2012)

Karimi-Varzaneh, Hossein Ali ; van der Vegt, Nico F. A. ; Müller-Plathe, Florian ; Carbone, Paola :
How Good Are Coarse-Grained Polymer Models? A Comparison for Atactic Polystyrene.
[Online-Edition: http://dx.doi.org/10.1002/cphc.201200111]
In: ChemPhysChem, 13 (15) pp. 3428-3439. ISSN 14394235
[Artikel], (2012)

Mukherji, Debashish ; van der Vegt, Nico F. A. ; Kremer, Kurt ; Delle Site, Luigi :
Kirkwood–Buff Analysis of Liquid Mixtures in an Open Boundary Simulation.
[Online-Edition: http://dx.doi.org/10.1021/ct200709h]
In: Journal of Chemical Theory and Computation, 8 (2) pp. 375-379. ISSN 1549-9618
[Artikel], (2012)

Mukherji, Debashish ; van der Vegt, Nico F. A. ; Kremer, Kurt ; Delle Site, Luigi :
Kirkwood–Buff Analysis of Liquid Mixtures in an Open Boundary Simulation.
[Online-Edition: http://dx.doi.org/10.1021/ct200709h]
In: Journal of Chemical Theory and Computation, 8 (2) pp. 375-379. ISSN 1549-9618
[Artikel], (2012)

Ganguly, Pritam ; Mukherji, Debashish ; Junghans, Christoph ; van der Vegt, Nico F. A. :
Kirkwood–Buff Coarse-Grained Force Fields for Aqueous Solutions.
[Online-Edition: http://dx.doi.org/10.1021/ct3000958]
In: Journal of Chemical Theory and Computation, 8 (5) p. 1802. ISSN 1549-9618
[Artikel], (2012)

Ganguly, Pritam ; Mukherji, Debashish ; Junghans, Christoph ; van der Vegt, Nico F. A. :
Kirkwood–Buff Coarse-Grained Force Fields for Aqueous Solutions.
[Online-Edition: http://dx.doi.org/10.1021/ct3000958]
In: Journal of Chemical Theory and Computation, 8 (5) pp. 1802-1807. ISSN 1549-9618
[Artikel], (2012)

Delle Site, Luigi ; Holm, Christian ; van der Vegt, Nico F. A. :
Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes.
In: Multiscale Molecular Methods in Applied Chemistry. Topics in Current Chemistry, 307. , pp. 251-294.
[Buchkapitel], (2012)

Mukherji, Debashish ; van der Vegt, Nico F. A. ; Kremer, Kurt :
Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach.
[Online-Edition: http://dx.doi.org/10.1021/ct300253n]
In: Journal of Chemical Theory and Computation, 8 (10) p. 3536. ISSN 1549-9618
[Artikel], (2012)

Mukherji, Debashish ; van der Vegt, Nico F. A. ; Kremer, Kurt :
Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach.
[Online-Edition: http://dx.doi.org/10.1021/ct300253n]
In: Journal of Chemical Theory and Computation, 8 (10) pp. 3536-3541. ISSN 1549-9618
[Artikel], (2012)

Brini, Emiliano ; Herbers, Claudia R. ; Deichmann, Gregor ; van der Vegt, Nico F. A. :
Thermodynamic transferability of coarse-grained potentials for polymer-additive systems.
In: Physical Chemistry Chemical Physics, 14 pp. 11896-11903.
[Artikel], (2012)

Brini, Emiliano ; Herbers, Claudia R. ; Deichmann, Gregor ; van der Vegt, Nico F. A. :
Thermodynamic transferability of coarse-grained potentials for polymer–additive systems.
[Online-Edition: http://dx.doi.org/10.1039/C2CP40735C]
In: Physical Chemistry Chemical Physics, 14 (34) p. 11896. ISSN 1463-9076
[Artikel], (2012)

Fritz, Dominik ; Koschke, Konstantin ; Harmandaris, Vagelis A. ; van der Vegt, Nico F. A. ; Kremer, Kurt :
Multiscale modeling of soft matter: scaling of dynamics.
In: Phys. Chem. Chem. Phys., 13 10412–10420.
[Artikel], (2011)

Brini, Emiliano ; Marcon, Valentina ; van der Vegt, Nico F. A. :
Conditional reversible work method for molecular coarse graining applications.
In: Phys. Chem. Chem. Phys., 13 10468–10474.
[Artikel], (2011)

Algaer, Elena A. ; van der Vegt, Nico F. A. :
Hofmeister Ion Interactions with Model Amide Compounds.
[Online-Edition: http://dx.doi.org/10.1021/jp208583w]
In: The Journal of Physical Chemistry B, 115 (46) p. 13781. ISSN 1520-6106
[Artikel], (2011)

Ganguly, Pritam ; Schravendijk, Pim ; Hess, Berk ; van der Vegt, Nico F. A. :
Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions.
In: J. Phys. Chem. B, 115 3734–3739.
[Artikel], (2011)

Chen, Shuyu ; Huang, Xianxiang ; Wen, Weijia ; Ping, Sheng ; van der Vegt, Nico F. A. :
Microscopic Mechanism of the Giant Electrorheological Effect.
In: International Journal of Modern Physics B, 25 (7) 897–903.
[Artikel], (2011)

Herbers, Claudia R. ; Johnston, Karen ; van der Vegt, Nico F. A. :
Modelling molecule–surface interactions—an automated quantum-classical approach using a genetic algorithm.
In: Phys. Chem. Chem. Phys., 13 10577–10583.
[Artikel], (2011)

Fritz, Dominik ; Koschke, Konstantin ; Harmandaris, Vagelis A. ; van der Vegt, Nico F. A. ; Kremer, Kurt :
Multiscale modeling of soft matter: scaling of dynamics.
[Online-Edition: http://dx.doi.org/10.1039/c1cp20247b]
In: Physical Chemistry Chemical Physics, 13 (22) pp. 10412-10420. ISSN 1463-9076
[Artikel], (2011)

Shen, Jia-Wei ; Li, Chunli ; van der Vegt, Nico F. A. ; Peter, Christine :
Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions.
In: J. Chem. Theory Comput., 7 1916–1927.
[Artikel], (2011)

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